methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate

C17H24O4 — CID 82551916

IUPACmethyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
SMILESCCCOc1c(C)cc(C)cc1C(=O)CCCC(=O)OC
InChIInChI=1S/C17H24O4/c1-5-9-21-17-13(3)10-12(2)11-14(17)15(18)7-6-8-16(19)20-4/h10-11H,5-9H2,1-4H3
InChIKeyOWYZZKSGBZFOLX-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.62
Rot. Bonds8

About methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate

methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate (PubChem CID 82551916) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
PubChem CID82551916
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
SMILESCCCOc1c(C)cc(C)cc1C(=O)CCCC(=O)OC
InChIInChI=1S/C17H24O4/c1-5-9-21-17-13(3)10-12(2)11-14(17)15(18)7-6-8-16(19)20-4/h10-11H,5-9H2,1-4H3
InChIKeyOWYZZKSGBZFOLX-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193
propyl 5-[6-methoxy-1-(3-methyl-4-propoxy-5-propoxycarbonylphenyl)-6-oxohex-1-enyl]-3-methyl-2-propoxybenzoate
CID 3009425
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82551889
methyl 4-(4-formyl-2,6-dimethylphenoxy)butanoate
CID 43378050
methyl 3-(4-butoxy-3,5-dimethylphenyl)-3-oxopropanoate
CID 71097490
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
methyl 6-(2-amino-5-methylphenyl)-6-oxohexanoate
CID 7237193
methyl 5-(5-methyl-2-propylsulfonylphenyl)-5-oxopentanoate
CID 82551282
ethane;methyl 4-(3,4,5-trimethylphenoxy)butanoate
CID 156857087
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate?
The IUPAC name of methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate (CID 82551916) is methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate?
The canonical SMILES for methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate is CCCOc1c(C)cc(C)cc1C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate?
The InChIKey is OWYZZKSGBZFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-9-21-17-13(3)10-12(2)11-14(17)15(18)7-6-8-16(19)20-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate?
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate has a molecular weight of 292.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate is sourced from PubChem (CID 82551916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).